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Compile Data Set for Download or QSAR

Found 56 hits with Last Name = 'patil' and Initial = 'vs'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM501684
PNG
(US11028058, Compound 1.309)
Show SMILES Cn1ccc(n1)-c1nc(N)c(nc1-c1cc(Cl)c2ncccc2c1)C#N
Show InChI InChI=1S/C18H12ClN7/c1-26-6-4-13(25-26)17-16(23-14(9-20)18(21)24-17)11-7-10-3-2-5-22-15(10)12(19)8-11/h2-8H,1H3,(H2,21,24)
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US Patent
n/an/a 1.60n/an/an/an/an/an/a



NUVATION BIO INC.

US Patent


Assay Description
For the A2A adenosine receptor radioligand binding assay, the following modifications were made to the general protocol. GF/C filters (Perkin Elmer, ...


US Patent US11028058 (2021)


BindingDB Entry DOI: 10.7270/Q23J3H46
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM501676
PNG
(US11028058, Compound 1.271)
Show SMILES Cc1ccn(n1)-c1nc(N)cnc1-c1cc(Cl)c2ncccc2c1
Show InChI InChI=1S/C17H13ClN6/c1-10-4-6-24(23-10)17-16(21-9-14(19)22-17)12-7-11-3-2-5-20-15(11)13(18)8-12/h2-9H,1H3,(H2,19,22)
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n/an/a 2.10n/an/an/an/an/an/a



NUVATION BIO INC.

US Patent


Assay Description
For the A2A adenosine receptor radioligand binding assay, the following modifications were made to the general protocol. GF/C filters (Perkin Elmer, ...


US Patent US11028058 (2021)


BindingDB Entry DOI: 10.7270/Q23J3H46
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM501677
PNG
(US11028058, Compound 1.292)
Show SMILES Cc1ccn(n1)-c1nc(N)c(nc1-c1cc(Cl)c2ncccc2c1)C#N
Show InChI InChI=1S/C18H12ClN7/c1-10-4-6-26(25-10)18-16(23-14(9-20)17(21)24-18)12-7-11-3-2-5-22-15(11)13(19)8-12/h2-8H,1H3,(H2,21,24)
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n/an/a 2.40n/an/an/an/an/an/a



NUVATION BIO INC.

US Patent


Assay Description
For the A2A adenosine receptor radioligand binding assay, the following modifications were made to the general protocol. GF/C filters (Perkin Elmer, ...


US Patent US11028058 (2021)


BindingDB Entry DOI: 10.7270/Q23J3H46
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM501679
PNG
(US11028058, Compound 1.290)
Show SMILES Cc1ccn(n1)-c1nc(N)c(nc1-c1ccc2ncccc2c1)C#N
Show InChI InChI=1S/C18H13N7/c1-11-6-8-25(24-11)18-16(22-15(10-19)17(20)23-18)13-4-5-14-12(9-13)3-2-7-21-14/h2-9H,1H3,(H2,20,23)
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n/an/a 3.30n/an/an/an/an/an/a



NUVATION BIO INC.

US Patent


Assay Description
For the A2A adenosine receptor radioligand binding assay, the following modifications were made to the general protocol. GF/C filters (Perkin Elmer, ...


US Patent US11028058 (2021)


BindingDB Entry DOI: 10.7270/Q23J3H46
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM501680
PNG
(US11028058, Compound 1.295)
Show SMILES Cc1ccn(n1)-c1nc(N)cnc1-c1cc(Cl)c2[nH]ncc2c1
Show InChI InChI=1S/C15H12ClN7/c1-8-2-3-23(22-8)15-14(18-7-12(17)20-15)9-4-10-6-19-21-13(10)11(16)5-9/h2-7H,1H3,(H2,17,20)(H,19,21)
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n/an/a 5.5n/an/an/an/an/an/a



NUVATION BIO INC.

US Patent


Assay Description
For the A2A adenosine receptor radioligand binding assay, the following modifications were made to the general protocol. GF/C filters (Perkin Elmer, ...


US Patent US11028058 (2021)


BindingDB Entry DOI: 10.7270/Q23J3H46
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM501682
PNG
(US11028058, Compound 1.304)
Show SMILES Cn1ccc(n1)-c1nc(N)cnc1-c1cc(Cl)c2[nH]ncc2c1
Show InChI InChI=1S/C15H12ClN7/c1-23-3-2-11(22-23)15-14(18-7-12(17)20-15)8-4-9-6-19-21-13(9)10(16)5-8/h2-7H,1H3,(H2,17,20)(H,19,21)
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n/an/a 9n/an/an/an/an/an/a



NUVATION BIO INC.

US Patent


Assay Description
For the A2A adenosine receptor radioligand binding assay, the following modifications were made to the general protocol. GF/C filters (Perkin Elmer, ...


US Patent US11028058 (2021)


BindingDB Entry DOI: 10.7270/Q23J3H46
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM501686
PNG
(US11028058, Compound 1.318)
Show SMILES Cc1ncc(s1)-c1nc(N)cnc1-c1cc(Cl)c2ncccc2c1
Show InChI InChI=1S/C17H12ClN5S/c1-9-21-7-13(24-9)17-16(22-8-14(19)23-17)11-5-10-3-2-4-20-15(10)12(18)6-11/h2-8H,1H3,(H2,19,23)
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n/an/a 9.40n/an/an/an/an/an/a



NUVATION BIO INC.

US Patent


Assay Description
For the A2A adenosine receptor radioligand binding assay, the following modifications were made to the general protocol. GF/C filters (Perkin Elmer, ...


US Patent US11028058 (2021)


BindingDB Entry DOI: 10.7270/Q23J3H46
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM501681
PNG
(US11028058, Compound 1.297)
Show SMILES Cn1ccc(n1)-c1nc(N)cnc1-c1cc(Cl)c2ncccc2c1
Show InChI InChI=1S/C17H13ClN6/c1-24-6-4-13(23-24)17-16(21-9-14(19)22-17)11-7-10-3-2-5-20-15(10)12(18)8-11/h2-9H,1H3,(H2,19,22)
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n/an/a 17n/an/an/an/an/an/a



NUVATION BIO INC.

US Patent


Assay Description
For the A2A adenosine receptor radioligand binding assay, the following modifications were made to the general protocol. GF/C filters (Perkin Elmer, ...


US Patent US11028058 (2021)


BindingDB Entry DOI: 10.7270/Q23J3H46
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM464678
PNG
(US10793561, Compound 1.14)
Show SMILES O=c1cc[nH]c2nc(-c3ccco3)c(cc12)-c1ccc2ncccc2c1
Show InChI InChI=1S/C21H13N3O2/c25-18-7-9-23-21-16(18)12-15(20(24-21)19-4-2-10-26-19)13-5-6-17-14(11-13)3-1-8-22-17/h1-12H,(H,23,24,25)
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n/an/a 33n/an/an/an/an/an/a



NUVATION BIO INC.

US Patent


Assay Description
For the adenosine A2A receptor radioligand binding assay, the following modifications were made to the general protocol. GF/C filters (Perkin Elmer, ...


US Patent US10793561 (2020)


BindingDB Entry DOI: 10.7270/Q2ST7SX9
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM501678
PNG
(US11028058, Compound 1.288)
Show SMILES Cc1ncc(s1)-c1nc(N)cnc1-c1ccc2ncccc2c1
Show InChI InChI=1S/C17H13N5S/c1-10-20-8-14(23-10)17-16(21-9-15(18)22-17)12-4-5-13-11(7-12)3-2-6-19-13/h2-9H,1H3,(H2,18,22)
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n/an/a 55.5n/an/an/an/an/an/a



NUVATION BIO INC.

US Patent


Assay Description
For the A2A adenosine receptor radioligand binding assay, the following modifications were made to the general protocol. GF/C filters (Perkin Elmer, ...


US Patent US11028058 (2021)


BindingDB Entry DOI: 10.7270/Q23J3H46
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM501675
PNG
(US11028058, Compound 1.1)
Show SMILES Nc1cnc(-c2ccc(O)c(Cl)c2)c(n1)-c1ccccc1
Show InChI InChI=1S/C16H12ClN3O/c17-12-8-11(6-7-13(12)21)15-16(20-14(18)9-19-15)10-4-2-1-3-5-10/h1-9,21H,(H2,18,20)
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n/an/a 57n/an/an/an/an/an/a



NUVATION BIO INC.

US Patent


Assay Description
For the A2A adenosine receptor radioligand binding assay, the following modifications were made to the general protocol. GF/C filters (Perkin Elmer, ...


US Patent US11028058 (2021)


BindingDB Entry DOI: 10.7270/Q23J3H46
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM501685
PNG
(US11028058, Compound 1.315)
Show SMILES Cn1ccc(n1)-c1nc(N)cnc1-c1ccc2c(cc[nH]c2=O)c1
Show InChI InChI=1S/C17H14N6O/c1-23-7-5-13(22-23)16-15(20-9-14(18)21-16)11-2-3-12-10(8-11)4-6-19-17(12)24/h2-9H,1H3,(H2,18,21)(H,19,24)
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n/an/a 101n/an/an/an/an/an/a



NUVATION BIO INC.

US Patent


Assay Description
For the A2A adenosine receptor radioligand binding assay, the following modifications were made to the general protocol. GF/C filters (Perkin Elmer, ...


US Patent US11028058 (2021)


BindingDB Entry DOI: 10.7270/Q23J3H46
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM464677
PNG
(US10793561, Compound 1.5)
Show SMILES COc1ccc2cc(ccc2n1)-c1cc2c(nc1-c1ccccc1)[nH]ccc2=O
Show InChI InChI=1S/C24H17N3O2/c1-29-22-10-8-17-13-16(7-9-20(17)26-22)18-14-19-21(28)11-12-25-24(19)27-23(18)15-5-3-2-4-6-15/h2-14H,1H3,(H,25,27,28)
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n/an/a 181n/an/an/an/an/an/a



NUVATION BIO INC.

US Patent


Assay Description
For the adenosine A2A receptor radioligand binding assay, the following modifications were made to the general protocol. GF/C filters (Perkin Elmer, ...


US Patent US10793561 (2020)


BindingDB Entry DOI: 10.7270/Q2ST7SX9
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM501683
PNG
(US11028058, Compound 1.308)
Show SMILES Nc1cnc(-c2cc(Cl)c3ncccc3c2)c(n1)-n1ccccc1=O
Show InChI InChI=1S/C18H12ClN5O/c19-13-9-12(8-11-4-3-6-21-16(11)13)17-18(23-14(20)10-22-17)24-7-2-1-5-15(24)25/h1-10H,(H2,20,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



NUVATION BIO INC.

US Patent


Assay Description
For the A2A adenosine receptor radioligand binding assay, the following modifications were made to the general protocol. GF/C filters (Perkin Elmer, ...


US Patent US11028058 (2021)


BindingDB Entry DOI: 10.7270/Q23J3H46
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM50401967
PNG
(CHEMBL2207959)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc(Br)cc1 |c:12,14|
Show InChI InChI=1S/C19H12BrN3OS/c1-24-15-6-7-17-18(11-15)25-19-22-16(10-14(8-9-21)23(17)19)12-2-4-13(20)5-3-12/h2-8,10-11H,1H3/b14-8+
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n/an/a 1.41E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of liver glucosidase in Swiss mouse liver extracts


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401976
PNG
(CHEMBL2203334)
Show SMILES Brc1ccc(cc1)C1=C\C(=C/C#N)N2C(Sc3ccccc23)=N1 |c:24,t:8|
Show InChI InChI=1S/C18H10BrN3S/c19-13-7-5-12(6-8-13)15-11-14(9-10-20)22-16-3-1-2-4-17(16)23-18(22)21-15/h1-9,11H/b14-9+
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n/an/a 1.53E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425183
PNG
(CHEMBL2313583)
Show SMILES CCOc1ccc2nc(N=C(CC(=O)c3ccc(Br)cc3)SC)sc2c1 |w:9.8|
Show InChI InChI=1S/C19H17BrN2O2S2/c1-3-24-14-8-9-15-17(10-14)26-19(21-15)22-18(25-2)11-16(23)12-4-6-13(20)7-5-12/h4-10H,3,11H2,1-2H3
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n/an/a 1.59E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM50401973
PNG
(CHEMBL2207953)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc2ccccc2c1 |c:12,14|
Show InChI InChI=1S/C23H15N3OS/c1-27-19-8-9-21-22(14-19)28-23-25-20(13-18(10-11-24)26(21)23)17-7-6-15-4-2-3-5-16(15)12-17/h2-10,12-14H,1H3/b18-10+
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n/an/a 1.59E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of liver glucosidase in Swiss mouse liver extracts


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425181
PNG
(CHEMBL2313585)
Show SMILES CCOc1ccc2nc(N=C(CC(=O)c3ccccc3)SC)sc2c1 |w:9.8|
Show InChI InChI=1S/C19H18N2O2S2/c1-3-23-14-9-10-15-17(11-14)25-19(20-15)21-18(24-2)12-16(22)13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3
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n/an/a 1.63E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425180
PNG
(CHEMBL2313586)
Show SMILES CSC(CC(=O)c1ccc(Br)cc1)=Nc1nc2cc(C)c(C)cc2s1 |w:13.14|
Show InChI InChI=1S/C19H17BrN2OS2/c1-11-8-15-17(9-12(11)2)25-19(21-15)22-18(24-3)10-16(23)13-4-6-14(20)7-5-13/h4-9H,10H2,1-3H3
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n/an/a 1.69E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401967
PNG
(CHEMBL2207959)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc(Br)cc1 |c:12,14|
Show InChI InChI=1S/C19H12BrN3OS/c1-24-15-6-7-17-18(11-15)25-19-22-16(10-14(8-9-21)23(17)19)12-2-4-13(20)5-3-12/h2-8,10-11H,1H3/b14-8+
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n/an/a 1.74E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425182
PNG
(CHEMBL2313584)
Show SMILES CSC(CC(=O)c1ccc(Br)cc1)=Nc1nc2ccccc2s1 |w:13.14|
Show InChI InChI=1S/C17H13BrN2OS2/c1-22-16(10-14(21)11-6-8-12(18)9-7-11)20-17-19-13-4-2-3-5-15(13)23-17/h2-9H,10H2,1H3
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n/an/a 1.78E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425178
PNG
(CHEMBL2313588)
Show SMILES CCOc1ccc2nc(N=C(CC(=O)c3ccc(Cl)cc3)SC)sc2c1 |w:9.8|
Show InChI InChI=1S/C19H17ClN2O2S2/c1-3-24-14-8-9-15-17(10-14)26-19(21-15)22-18(25-2)11-16(23)12-4-6-13(20)7-5-12/h4-10H,3,11H2,1-2H3
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n/an/a 1.79E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM50401970
PNG
(CHEMBL2207956)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc(C)cc1 |c:12,14|
Show InChI InChI=1S/C20H15N3OS/c1-13-3-5-14(6-4-13)17-11-15(9-10-21)23-18-8-7-16(24-2)12-19(18)25-20(23)22-17/h3-9,11-12H,1-2H3/b15-9+
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n/an/a 1.83E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of liver glucosidase in Swiss mouse liver extracts


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425176
PNG
(CHEMBL2313590)
Show SMILES CCOc1ccc2nc(N=C(CC(=O)c3ccc(F)cc3)SC)sc2c1 |w:9.8|
Show InChI InChI=1S/C19H17FN2O2S2/c1-3-24-14-8-9-15-17(10-14)26-19(21-15)22-18(25-2)11-16(23)12-4-6-13(20)7-5-12/h4-10H,3,11H2,1-2H3
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n/an/a 1.84E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425175
PNG
(CHEMBL2313591)
Show SMILES CCOc1ccc2nc(N=C(CC(=O)c3ccc(OC)cc3)SC)sc2c1 |w:9.8|
Show InChI InChI=1S/C20H20N2O3S2/c1-4-25-15-9-10-16-18(11-15)27-20(21-16)22-19(26-3)12-17(23)13-5-7-14(24-2)8-6-13/h5-11H,4,12H2,1-3H3
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n/an/a 1.86E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM50401968
PNG
(CHEMBL2207958)
Show SMILES CCOc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccccc1 |c:13,15|
Show InChI InChI=1S/C20H15N3OS/c1-2-24-16-8-9-18-19(13-16)25-20-22-17(14-6-4-3-5-7-14)12-15(10-11-21)23(18)20/h3-10,12-13H,2H2,1H3/b15-10+
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n/an/a 1.87E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of liver glucosidase in Swiss mouse liver extracts


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401973
PNG
(CHEMBL2207953)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc2ccccc2c1 |c:12,14|
Show InChI InChI=1S/C23H15N3OS/c1-27-19-8-9-21-22(14-19)28-23-25-20(13-18(10-11-24)26(21)23)17-7-6-15-4-2-3-5-16(15)12-17/h2-10,12-14H,1H3/b18-10+
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n/an/a 1.87E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425184
PNG
(CHEMBL2313582)
Show SMILES CCOc1ccc2nc(N=C(CC(=O)c3ccc(C)cc3)SC)sc2c1 |w:9.8|
Show InChI InChI=1S/C20H20N2O2S2/c1-4-24-15-9-10-16-18(11-15)26-20(21-16)22-19(25-3)12-17(23)14-7-5-13(2)6-8-14/h5-11H,4,12H2,1-3H3
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n/an/a 1.89E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401970
PNG
(CHEMBL2207956)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc(C)cc1 |c:12,14|
Show InChI InChI=1S/C20H15N3OS/c1-13-3-5-14(6-4-13)17-11-15(9-10-21)23-18-8-7-16(24-2)12-19(18)25-20(23)22-17/h3-9,11-12H,1-2H3/b15-9+
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n/an/a 1.95E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM50401972
PNG
(CHEMBL2207954)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc(Cl)cc1 |c:12,14|
Show InChI InChI=1S/C19H12ClN3OS/c1-24-15-6-7-17-18(11-15)25-19-22-16(10-14(8-9-21)23(17)19)12-2-4-13(20)5-3-12/h2-8,10-11H,1H3/b14-8+
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n/an/a 1.97E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of liver glucosidase in Swiss mouse liver extracts


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425177
PNG
(CHEMBL2313589)
Show SMILES CSC(CC(=O)c1ccc(F)cc1)=Nc1nc2ccccc2s1 |w:13.14|
Show InChI InChI=1S/C17H13FN2OS2/c1-22-16(10-14(21)11-6-8-12(18)9-7-11)20-17-19-13-4-2-3-5-15(13)23-17/h2-9H,10H2,1H3
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n/an/a 1.99E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401974
PNG
(CHEMBL2207952)
Show SMILES N#C\C=C1/C=C(N=C2Sc3ccccc3N12)c1ccc2ccccc2c1 |c:4,t:6|
Show InChI InChI=1S/C22H13N3S/c23-12-11-18-14-19(17-10-9-15-5-1-2-6-16(15)13-17)24-22-25(18)20-7-3-4-8-21(20)26-22/h1-11,13-14H/b18-11+
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n/an/a 1.99E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401972
PNG
(CHEMBL2207954)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc(Cl)cc1 |c:12,14|
Show InChI InChI=1S/C19H12ClN3OS/c1-24-15-6-7-17-18(11-15)25-19-22-16(10-14(8-9-21)23(17)19)12-2-4-13(20)5-3-12/h2-8,10-11H,1H3/b14-8+
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n/an/a 2.02E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM50401971
PNG
(CHEMBL2207955)
Show SMILES Cc1ccc(cc1)C1=C\C(=C/C#N)N2C(Sc3ccccc23)=N1 |c:24,t:8|
Show InChI InChI=1S/C19H13N3S/c1-13-6-8-14(9-7-13)16-12-15(10-11-20)22-17-4-2-3-5-18(17)23-19(22)21-16/h2-10,12H,1H3/b15-10+
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n/an/a 2.03E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of liver glucosidase in Swiss mouse liver extracts


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425179
PNG
(CHEMBL2313587)
Show SMILES CSC(CC(=O)c1ccc(Cl)cc1)=Nc1nc2ccccc2s1 |w:13.14|
Show InChI InChI=1S/C17H13ClN2OS2/c1-22-16(10-14(21)11-6-8-12(18)9-7-11)20-17-19-13-4-2-3-5-15(13)23-17/h2-9H,10H2,1H3
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n/an/a 2.03E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50425174
PNG
(CHEMBL2313592)
Show SMILES CSC(CC(=O)c1ccc(C)cc1)=Nc1nc2ccccc2s1 |w:13.14|
Show InChI InChI=1S/C18H16N2OS2/c1-12-7-9-13(10-8-12)15(21)11-17(22-2)20-18-19-14-5-3-4-6-16(14)23-18/h3-10H,11H2,1-2H3
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n/an/a 2.06E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pig pancreatic alpha-amylase by Bernfeld method


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401975
PNG
(CHEMBL2207951)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc(F)cc1 |c:12,14|
Show InChI InChI=1S/C19H12FN3OS/c1-24-15-6-7-17-18(11-15)25-19-22-16(10-14(8-9-21)23(17)19)12-2-4-13(20)5-3-12/h2-8,10-11H,1H3/b14-8+
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n/an/a 2.06E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50425174
PNG
(CHEMBL2313592)
Show SMILES CSC(CC(=O)c1ccc(C)cc1)=Nc1nc2ccccc2s1 |w:13.14|
Show InChI InChI=1S/C18H16N2OS2/c1-12-7-9-13(10-8-12)15(21)11-17(22-2)20-18-19-14-5-3-4-6-16(14)23-18/h3-10H,11H2,1-2H3
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n/an/a 2.11E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of pure alpha-glucosidase (unknown origin) assessed as para-nitrophenol release at 420 nm OD


Eur J Med Chem 59: 304-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.11.020
BindingDB Entry DOI: 10.7270/Q2028SV2
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM50401975
PNG
(CHEMBL2207951)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccc(F)cc1 |c:12,14|
Show InChI InChI=1S/C19H12FN3OS/c1-24-15-6-7-17-18(11-15)25-19-22-16(10-14(8-9-21)23(17)19)12-2-4-13(20)5-3-12/h2-8,10-11H,1H3/b14-8+
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n/an/a 2.11E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of liver glucosidase in Swiss mouse liver extracts


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM50401974
PNG
(CHEMBL2207952)
Show SMILES N#C\C=C1/C=C(N=C2Sc3ccccc3N12)c1ccc2ccccc2c1 |c:4,t:6|
Show InChI InChI=1S/C22H13N3S/c23-12-11-18-14-19(17-10-9-15-5-1-2-6-16(15)13-17)24-22-25(18)20-7-3-4-8-21(20)26-22/h1-11,13-14H/b18-11+
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n/an/a 2.12E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of liver glucosidase in Swiss mouse liver extracts


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401968
PNG
(CHEMBL2207958)
Show SMILES CCOc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccccc1 |c:13,15|
Show InChI InChI=1S/C20H15N3OS/c1-2-24-16-8-9-18-19(13-16)25-20-22-17(14-6-4-3-5-7-14)12-15(10-11-21)23(18)20/h3-10,12-13H,2H2,1H3/b15-10+
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n/an/a 2.18E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401978
PNG
(CHEMBL2207949)
Show SMILES Clc1ccc(cc1)C1=C\C(=C/C#N)N2C(Sc3ccccc23)=N1 |c:24,t:8|
Show InChI InChI=1S/C18H10ClN3S/c19-13-7-5-12(6-8-13)15-11-14(9-10-20)22-16-3-1-2-4-17(16)23-18(22)21-15/h1-9,11H/b14-9+
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n/an/a 2.19E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM50401978
PNG
(CHEMBL2207949)
Show SMILES Clc1ccc(cc1)C1=C\C(=C/C#N)N2C(Sc3ccccc23)=N1 |c:24,t:8|
Show InChI InChI=1S/C18H10ClN3S/c19-13-7-5-12(6-8-13)15-11-14(9-10-20)22-16-3-1-2-4-17(16)23-18(22)21-15/h1-9,11H/b14-9+
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n/an/a 2.20E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of liver glucosidase in Swiss mouse liver extracts


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401969
PNG
(CHEMBL2207957)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccccc1 |c:12,14|
Show InChI InChI=1S/C19H13N3OS/c1-23-15-7-8-17-18(12-15)24-19-21-16(13-5-3-2-4-6-13)11-14(9-10-20)22(17)19/h2-9,11-12H,1H3/b14-9+
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n/an/a 2.23E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401979
PNG
(CHEMBL2207948)
Show SMILES N#C\C=C1/C=C(N=C2Sc3ccccc3N12)c1ccccc1 |c:4,t:6|
Show InChI InChI=1S/C18H11N3S/c19-11-10-14-12-15(13-6-2-1-3-7-13)20-18-21(14)16-8-4-5-9-17(16)22-18/h1-10,12H/b14-10+
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n/an/a 2.30E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401971
PNG
(CHEMBL2207955)
Show SMILES Cc1ccc(cc1)C1=C\C(=C/C#N)N2C(Sc3ccccc23)=N1 |c:24,t:8|
Show InChI InChI=1S/C19H13N3S/c1-13-6-8-14(9-7-13)16-12-15(10-11-20)22-17-4-2-3-5-18(17)23-19(22)21-16/h2-10,12H,1H3/b15-10+
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n/an/a 2.32E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM50401979
PNG
(CHEMBL2207948)
Show SMILES N#C\C=C1/C=C(N=C2Sc3ccccc3N12)c1ccccc1 |c:4,t:6|
Show InChI InChI=1S/C18H11N3S/c19-11-10-14-12-15(13-6-2-1-3-7-13)20-18-21(14)16-8-4-5-9-17(16)22-18/h1-10,12H/b14-10+
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n/an/a 2.35E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of liver glucosidase in Swiss mouse liver extracts


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))
BDBM50401977
PNG
(CHEMBL2207950)
Show SMILES Fc1ccc(cc1)C1=C\C(=C/C#N)N2C(Sc3ccccc23)=N1 |c:24,t:8|
Show InChI InChI=1S/C18H10FN3S/c19-13-7-5-12(6-8-13)15-11-14(9-10-20)22-16-3-1-2-4-17(16)23-18(22)21-15/h1-9,11H/b14-9+
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n/an/a 2.44E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM50401969
PNG
(CHEMBL2207957)
Show SMILES COc1ccc2N3C(Sc2c1)=NC(=C\C3=C/C#N)c1ccccc1 |c:12,14|
Show InChI InChI=1S/C19H13N3OS/c1-23-15-7-8-17-18(12-15)24-19-21-16(13-5-3-2-4-6-13)11-14(9-10-20)22(17)19/h2-9,11-12H,1H3/b14-9+
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Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



North Maharashtra University

Curated by ChEMBL


Assay Description
Inhibition of liver glucosidase in Swiss mouse liver extracts


Bioorg Med Chem Lett 22: 7011-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.025
BindingDB Entry DOI: 10.7270/Q2FN17CD
More data for this
Ligand-Target Pair
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